LAMMPS (09 Jan 2020)
units		metal
dimension	3
boundary	p f p

atom_style	atomic
neighbor	2.0 bin

# create geometry

lattice		sc 10
Lattice spacing in x,y,z = 10 10 10
region		box block 0 10 0 10 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (100 100 100)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 1000 atoms
  create_atoms CPU = 0 secs

mass		1 39.95

# LJ potentials

pair_style	lj/cut 8.5
pair_coeff	* * 0.01 3.4 8.5

# initial velocities

velocity	all create 300 482748
fix		1 all nve

# Maxwellian reflection
# upper wall velocity = 0.1, lower wall fixed,
# accommodation coefficient = 0.2 for both walls

fix ywalls all wall/reflect/stochastic maxwell 29839      ylo EDGE 300 0 0 0 0.2 yhi EDGE 300 0 0 0.1 0.2

# run

thermo		1000
run		10000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.5
  ghost atom cutoff = 10.5
  binsize = 5.25, bins = 20 20 20
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.137 | 3.137 | 3.137 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300            0            0    38.739265    41.378094 
    1000    305.84027  -0.81554574            0    38.677879    43.038024 
    2000    313.63839   -1.8725314            0    38.627871    43.582384 
    3000    314.36459   -1.8810929            0    38.713084    44.238028 
    4000    313.62061   -1.8781065            0        38.62     44.16173 
    5000    314.62707   -2.0017812            0    38.626291    43.314646 
    6000    316.56502   -2.0984304            0     38.77989     44.63432 
    7000    316.76017   -2.1273978            0    38.776123    43.255178 
    8000    317.92744   -2.2609826            0     38.79327    44.492912 
    9000    317.48386   -2.1531603            0    38.843812    41.927957 
   10000    316.18654   -2.0295818            0    38.799865     43.73621 
Loop time of 1.15703 on 1 procs for 10000 steps with 1000 atoms

Performance: 746.740 ns/day, 0.032 hours/ns, 8642.825 timesteps/s
24.6% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.0516     | 1.0516     | 1.0516     |   0.0 | 90.89
Neigh   | 0.015567   | 0.015567   | 0.015567   |   0.0 |  1.35
Comm    | 0.01       | 0.01       | 0.01       |   0.0 |  0.86
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0.070344   | 0.070344   | 0.070344   |   0.0 |  6.08
Other   |            | 0.009534   |            |       |  0.82

Nlocal:    1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    475 ave 475 max 475 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2334 ave 2334 max 2334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2334
Ave neighs/atom = 2.334
Neighbor list builds = 90
Dangerous builds = 0
Total wall time: 0:00:01
